TPCN05737

Name Dubioside C
Molecular Formula C63H98O32
Molecular Weight 1367.45
CAS Registry Number 122587-97-7
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Papaveraceae Hylomecon japonica Whole plants 0.001500% Molecules. 2017 Oct 23;22(10). pii: molecules22101731. 10.3390/molecules22101731.
Properties
HBA 32 HBD 17
HeavyAtoms 95 AlogP -5.20
TPSA 505.88 RotatableBonds 15
FractionCSP3 0.92 Rings 11
AromaticRings 0 AliphaticRings 11